1-methyl-3-[(phenylmethyl)carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-[(phenylmethyl)carbamoyl]pyrazole-4-carboxylate Openeye Name: 3-(benzylcarbamoyl)-1-methyl-pyrazole-4-carboxylate CAS Name: 1-methyl-3-[oxo-[(phenylmethyl)amino]methyl]-4-pyrazolecarboxylate IUPAC Name: 3-(benzylcarbamoyl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(benzylcarbamoyl)-1-methyl-pyrazole-4-carboxylate Formula: C13H12N3O3- MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H13N3O3/c1-16-8-10(13(18)19)11(15-16)12(17)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,17)(H,18,19)/p-1